N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C26H27N3O2 — CID 50754330

About N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50754330) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50754330
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccccc4C)cc3)C2=O)cc1
• InChI: InChI=1S/C26H27N3O2/c1-19-8-10-21(11-9-19)18-28-16-5-17-29(26(28)31)23-14-12-22(13-15-23)25(30)27-24-7-4-3-6-20(24)2/h3-4,6-15H,5,16-18H2,1-2H3,(H,27,30)
• InChIKey: OGZCPIHUZQDYCU-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50754330) is N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1ccc(CN2CCCN(c3ccc(C(=O)Nc4ccccc4C)cc3)C2=O)cc1.

What is the InChIKey of N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is OGZCPIHUZQDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-8-10-21(11-9-19)18-28-16-5-17-29(26(28)31)23-14-12-22(13-15-23)25(30)27-24-7-4-3-6-20(24)2/h3-4,6-15H,5,16-18H2,1-2H3,(H,27,30).

What are the key properties of N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50754330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).